Chemical Properties of Urea, N,N'-dimethyl-N,N'-diphenyl- (CAS 611-92-7)

InChI

InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3

InChI Key

ADCBKYIHQQCFHE-UHFFFAOYSA-N

Formula

C15H16N2O

SMILES

CN(C(=O)N(C)c1ccccc1)c1ccccc1

Molecular Weight¹

240.30

CAS

611-92-7

Other Names

• 1,3-dimethyl-1,3-diphenylurea
• CENTRALITE 2
• CENTRALITE 2(dimethyldiphenyl urea)
• CENTRALITE II
• CENTRALITE II(dimethyldiphenyl urea)
• Carbanilide, N,N'-dimethyl-
• Centralit II
• Centralite-2
• N,N'-Dimethyl-N,N'-diphenylurea
• N,N'-Dimethylcarbanilide
• NSC 59781
• Zentralit II
• methyl centralite

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6221		Relay (1.0) Calculated Property
ΔcH°solid	[-8137.50; -8075.00]	kJ/mol
ΔcH°solid	-8137.50	kJ/mol	NIST
ΔcH°solid	-8116.10 ± 7.90	kJ/mol	NIST
ΔcH°solid	-8075.00	kJ/mol	NIST
ΔfG°	392.88	kJ/mol	Joback Calculated Property
ΔfH°gas	42.46	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-73.10 ± 7.90	kJ/mol	NIST
ΔfusH°	33.47	kJ/mol	Measurement and prediction of (solid + liquid) equilibria of gun powder's and propellant's stabilizers mixtures
ΔvapH°	96.36	kJ/mol	Relay (1.0) Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-3.04		Relay (1.0) Calculated Property
logPoct/wat	3.379		Crippen Calculated Property
McVol	196.220	ml/mol	McGowan Calculated Property
Pc	2665.27	kPa	Joback Calculated Property
Inp	[1766.00; 1766.00]
Inp	1766.00		NIST
Inp	1766.00		NIST
Tboil	612.93	K	Relay (1.0) Calculated Property
Tc	905.01	K	Relay (1.0) Calculated Property
Tfus	[393.15; 394.60]	K
Tfus	393.15	K	DSC measurement and prediction of phase diagrams for binary mixtures of energetic materials' stabilizers
Tfus	394.60 ± 0.00	K	NIST
Tfus	394.60 ± 0.00	K	NIST
Vc	0.728	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.12; 621.22]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.25800e+01
Coefficient B			1.49084e+00
Coefficient C			-1.06110e-03
Coefficient D			2.84060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.12	J/mol×K	273.00	Calculated Property
Cp,gas	314.62	J/mol×K	353.78	Calculated Property
Cp,gas	378.21	J/mol×K	434.56	Calculated Property
Cp,gas	432.78	J/mol×K	515.33	Calculated Property
Cp,gas	479.24	J/mol×K	596.11	Calculated Property
Cp,gas	518.48	J/mol×K	676.89	Calculated Property
Cp,gas	551.40	J/mol×K	757.67	Calculated Property
Cp,gas	578.89	J/mol×K	838.44	Calculated Property
Cp,gas	601.87	J/mol×K	919.22	Calculated Property
Cp,gas	621.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Urea, N,N'-dimethyl-N,N'-diphenyl-.

Mixtures

• Urea, N,N'-dimethyl-N,N'-diphenyl- + N-ETHYL-2,4-DINITROANILINE
• Urea, N,N'-dimethyl-N,N'-diphenyl- + N-ethyl-4-nitroaniline

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Measurement and prediction of (solid + liquid) equilibria of gun powder's and propellant's stabilizers mixtures
• DSC measurement and prediction of phase diagrams for binary mixtures of energetic materials' stabilizers
• Joback Method
• McGowan Method
• NIST Webbook

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